4-Methoxy-1H-pyrrolo[2,3-c]pyridin-7(6H)-one

Base Information

• Chemical Name: 4-Methoxy-1H-pyrrolo[2,3-c]pyridin-7(6H)-one
• CAS No.: 917918-80-0
• Molecular Formula: C8H8N2O2
• Molecular Weight: 164.164
• DSSTox Substance ID: DTXSID90580922
• Nikkaji Number: J2.444.537B
• Wikidata: Q82471923
• Mol file: 917918-80-0.mol

Synonyms:917918-80-0;7-HYDROXY-4-METHOXY-6-AZAINDOLE;4-Methoxy-1H-pyrrolo[2,3-c]pyridin-7(6H)-one;4-methoxy-1,6-dihydropyrrolo[2,3-c]pyridin-7-one;1,6-Dihydro-4-methoxy-7H-pyrrolo-[2,3-c]pyridin-7-one;4-methoxy-1H,6H,7H-pyrrolo[2,3-c]pyridin-7-one;7H-Pyrrolo[2,3-c]pyridin-7-one, 1,6-dihydro-4-methoxy-;1,6-Dihydro-4-methoxy-7H-pyrrolo[2,3-c]pyridin-7-one;SCHEMBL3570127;SCHEMBL12527957;DTXSID90580922;KZKAJMZNTBJUNK-UHFFFAOYSA-N;7-hydroxyl-4-methoxy-6-azaindole;CS-M1662;AKOS006312105;AKOS022180460;SB11023;CS-13133;SY321076;P11766;4-Methoxy-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one

Chemical Property of 4-Methoxy-1H-pyrrolo[2,3-c]pyridin-7(6H)-one

Chemical Property:

• Vapor Pressure: 6.84E-11mmHg at 25°C
• Boiling Point: 519.4oC at 760 mmHg
• Flash Point: 267.9oC
• PSA: 58.14000
• Density: 1.36g/cm3
• LogP: 1.27710
• Storage Temp.: Refrigerator
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 164.058577502
• Heavy Atom Count: 12
• Complexity: 237

Purity/Quality:

99%, ^*data from raw suppliers

7-Hydroxy-4-methoxy-6-azaindole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CNC(=O)C2=C1C=CN2
• Uses: 7-Hydroxy-4-methoxy-6-azaindole (cas# 917918-80-0) is a compound useful in organic synthesis.

Technology Process of 4-Methoxy-1H-pyrrolo[2,3-c]pyridin-7(6H)-one

There total 1 articles about 4-Methoxy-1H-pyrrolo[2,3-c]pyridin-7(6H)-one which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

5-bromo-2-chloro-3-nitropyridine (67443-38-3) → C8H8N2O2 (917918-80-0)

Guidance literature:

Multi-step reaction with 3 steps

1.1: tetrahydrofuran / 1.5 h / -78 °C / Inert atmosphere

2.1: potassium / toluene / 12 h / Reflux; Dean-Stark

2.2: 1.5 h / 60 - 115 °C

3.1: hydrogenchloride / 1-methyl-pyrrolidin-2-one; water / 6 h / 100 °C

With hydrogenchloride; potassium; In tetrahydrofuran; 1-methyl-pyrrolidin-2-one; water; toluene;

DOI:10.1016/j.bmcl.2014.10.027

Reference yield: 40.0%

C8H8N2O2 (917918-80-0) → 7-chloro-4-methoxy-1H-pyrrolo[2,3-c]pyridine (446284-32-8)

Guidance literature:

With trichlorophosphate; at 100 ℃; for 12h;

DOI:10.1016/j.bmcl.2014.10.027

Reference yield: 27.0%

7-hydroxy-4-methoxy-6-azaindole (917918-80-0) → 7-bromo-4-methoxy-6-azaindole (619331-35-0)

Guidance literature:

7-hydroxy-4-methoxy-6-azaindole; With phosphorus(V) oxybromide; In methoxybenzene; at 160 ℃; for 1h;

With hydrogen bromide; In water; methoxybenzene; at 20 ℃;

In tert-butyl methyl ether; water; methoxybenzene; pH=6 - 7;

upstream raw materials:

5-bromo-2-chloro-3-nitropyridine

Downstream raw materials:

7-bromo-4-methoxy-6-azaindole

7-chloro-4-methoxy-1H-pyrrolo[2,3-c]pyridine

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